6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one

C12H17NO — CID 123446409

IUPAC6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one
SMILESCC=C(C)CC(C)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17NO/c1-4-9(2)8-10(3)11-6-5-7-12(14)13-11/h4-7,10H,8H2,1-3H3,(H,13,14)
InChIKeyVQOLZUBRKMICRJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.83
Rot. Bonds3

About 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one

6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one (PubChem CID 123446409) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one
PubChem CID123446409
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one
SMILESCC=C(C)CC(C)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17NO/c1-4-9(2)8-10(3)11-6-5-7-12(14)13-11/h4-7,10H,8H2,1-3H3,(H,13,14)
InChIKeyVQOLZUBRKMICRJ-UHFFFAOYSA-N
XLogP2.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,6,7,8,9,10,11,12,13,14-Decahydro-1H-cyclododeca[b]pyridin-2-one
CID 794271
6-Cyclohexyl-4-methyl-2(1H)-pyridone
CID 71315668
(13E)-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
CID 10198465
5-(2-methylpropanoyl)-6-propan-2-yl-1H-pyridin-2-one
CID 13572416
(13Z)-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
CID 44322455
5-Amino-6-ethylidene-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 44342223
6-nonyl-1H-pyridin-2-one
CID 177665986
6-Isopropylpyridin-2(1H)-one
CID 12354335
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one
CID 162856076
6-Butylpyridin-2-ol
CID 23352100
8-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 24962995

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one (CID 123446409) is 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one is CC=C(C)CC(C)c1cccc(=O)[nH]1.
What is the InChIKey of 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one?
The InChIKey is VQOLZUBRKMICRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-9(2)8-10(3)11-6-5-7-12(14)13-11/h4-7,10H,8H2,1-3H3,(H,13,14).
What are the key properties of 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one?
6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 123446409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).